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Browsing by Subject Density Functional Approximations

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Showing results 68 to 84 of 84 < previous 
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg11-Nov-2019Complex_7_HS_bp86Vlahovic, FilipADF; 2013; 01Single point QuildDFTTZP; DZP-
thumbnail.jpeg11-Nov-2019Complex_7_HS_ldaVlahovic, FilipADF; 2013; 01Single point QuildDFTTZ2P-
thumbnail.jpeg11-Nov-2019Complex_7_HS_pbeVlahovic, FilipADF; 2016Single point QuildDFTTZ2P-
thumbnail.jpeg11-Nov-2019Complex_7_HS_s12gVlahovic, FilipADF; 2013; 01Single point QuildDFTTZ2P-
thumbnail.jpeg11-Nov-2019Complex_7_HS_s12hVlahovic, FilipADF; 2013; 01Single point QuildDFTTZ2P-
thumbnail.jpeg11-Nov-2019Complex_8_HS_b3lypVlahovic, FilipADF; 2013; 01Single point QuildDFTTZ2P-
thumbnail.jpeg11-Nov-2019Complex_8_HS_bp86Vlahovic, FilipADF; 2013; 01Single point QuildDFTTZP; DZP-
thumbnail.jpeg11-Nov-2019Complex_8_HS_ldaVlahovic, FilipADF; 2013; 01Single point QuildDFTTZ2P-
thumbnail.jpeg11-Nov-2019Complex_8_HS_pbeVlahovic, FilipADF; 2013; 01Single point QuildDFTTZ2P-
thumbnail.jpeg11-Nov-2019Complex_8_HS_s12gVlahovic, FilipADF; 2013; 01Single point QuildDFTTZ2P-
thumbnail.jpeg11-Nov-2019Complex_8_HS_s12hVlahovic, FilipADF; 2013; 01Single point QuildDFTTZ2P-
thumbnail.jpeg11-Nov-2019Complex_9_HS_b3lypVlahovic, FilipADF; 2013; 01Geometry optimization QuildDFTTZ2P-
thumbnail.jpeg11-Nov-2019Complex_9_HS_bp86Vlahovic, FilipADF; 2013; 01Single point QuildDFTTZP; DZP-
thumbnail.jpeg11-Nov-2019Complex_9_HS_ldaVlahovic, FilipADF; 2013; 01Single point QuildDFTTZ2P-
thumbnail.jpeg11-Nov-2019Complex_9_HS_pbeVlahovic, FilipADF; 2013; 01Single point QuildDFTTZ2P-
thumbnail.jpeg11-Nov-2019Complex_9_HS_s12gVlahovic, FilipADF; 2013; 01Single point QuildDFTTZ2P-
thumbnail.jpeg11-Nov-2019Complex_9_HS_s12hVlahovic, FilipADF; 2016Single point QuildDFTTZ2P-
Showing results 68 to 84 of 84 < previous